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Terpinene
CAS: 99-86-5 | C10H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-86-5
Molecular Formula:
C10H16
Molecular Mass:
136.24 g/mol
Names and Synonyms:
Terpinene
1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-
p-Mentha-1,3-diene
1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene
Terpilene
α-Terpinene
α-Terpinen
4-Isopropyl-1-methyl-1,3-cyclohexadiene
1-Methyl-4-isopropyl-1,3-cyclohexadiene
1-Isopropyl-4-methyl-1,3-cyclohexadiene
alpha-Terpinene
1-Methyl-4-propan-2-ylcyclohexa-1,3-diene
Identifiers:
SMILES:
CC1=CC=C(C(C)C)CC1
InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
Key Properties
Boiling Point
175 °C
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
0.85 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.24 g/mol | CAS Common Chemistry |
| 136.238 g/mol | RDKit | |
| 136.125200512 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8529 g/cm3 @ Temp: 23 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Terpinene | CAS Common Chemistry |
| Boiling Point | 175 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(CCC1C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YHQGMYUVUMAZJR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | α-Terpinene | CAS Common Chemistry |
| Terpinene | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.308900000000002 | RDKit |
| Molar Refractivity | 45.91200000000003 | RDKit |
